2-[[ethyl-(phenylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(ethyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H23N5S MolecularWeight: 401.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5S/c1-2-26(17-19-9-5-3-6-10-19)18-27-23(29)28(21-11-7-4-8-12-21)22(25-27)20-13-15-24-16-14-20/h3-16H,2,17-18H2,1H3